Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_G2B-ABO-17.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8 9
poly-Ala
A
A
A
A
A
G
A
 A A

Grey: Restrictive positions; only 1 or 2 residues predicted after FoldX analysis

Yellow: Tolerant positions; more than 10 residues predicted after FoldX analysis

 

WT ligand    

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Intraclash 5.570 ΔGbinding 1.282
TOTAL
 6.852
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.539
Van der Waals -4.969 Backbone clash 0.031
Electrostatics 0.846 Helix dipole 0.000
Solvation Polar 5.394 Water bridges -0.088
Solvation Hyd -7.067 Disulfide 0.000
VdW clashes 4.643 Electrost. Kon 0.802
Entropy sc 0.765 Part.cov.bonds 0.000
Entropy mc

2.967

 ΔGstability

88.015
       

Predicted ligand sequences for model [BZZ1-D1_G2B-ABO-17.PDB]

(from FoldX scoring matrices).
If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence).
 
  BZZ1-D1_G2B-ABO-17.PDB  

(data)
# Predicted Sequences Value Calculate
1 FRPIRGYAF 0.0
2 FRPIRGYAR 0.01
3 FRIIRGYAF 0.04
4 FRIIRGYAR 0.05
5 FRVIRGYAR 0.09
6 FRVIRGYAF 0.09
7 FRPIRGYRF 0.1
8 FRPIRGYRR 0.11
9 FRPIRGYAI 0.13
10 FRIIRGYRF 0.14
11 FRIIRGYRR 0.15
12 FRIIRGYAI 0.17
13 FRVIRGYRF 0.18
14 FRVIRGYRR 0.19
15 FRVIRGYAI 0.21
16 FRPIRGYRI 0.23
17 FPPIRGYAF 0.25
18 FPPIRGYAR 0.26
19 FRIIRGYRI 0.27
20 FPIIRGYAF 0.29
21 FRPKRGYAF 0.3
22 FPIIRGYAR 0.3
23 FRVIRGYRI 0.31
24 FRPKRGYAR 0.31
25 FPVIRGYAF 0.33
26 FPVIRGYAR 0.34
27 FRIKRGYAF 0.34
28 FRIKRGYAR 0.35
29 FPPIRGYRF 0.35
30 FPPIRGYRR 0.36
31 FPPIRGYAI 0.38
32 FRVKRGYAF 0.38
33 FPIIRGYRF 0.39
34 FRVKRGYAR 0.39
35 FRPIRGYSF 0.4
36 FPIIRGYRR 0.4
37 FRPKRGYRF 0.4
38 FRPIRGYSR 0.41
39 FRPKRGYRR 0.41
40 FPIIRGYAI 0.42
41 FRPKRGYAI 0.43
42 FPVIRGYRF 0.43
43 FRIIRGYSF 0.44
44 FRIKRGYRF 0.44
45 FPVIRGYRR 0.44
46 FRIIRGYSR 0.45
47 FRIKRGYRR 0.45
48 FPVIRGYAI 0.46
49 FRIKRGYAI 0.47
50 FPPIRGYRI 0.48
51 FRVKRGYRF 0.48
52 FRVIRGYSF 0.49
53 FRVKRGYRR 0.49
54 FRVIRGYSR 0.5
55 FRVKRGYAI 0.51
56 FPIIRGYRI 0.52
57 FRPIRGYSI 0.53
58 FRPKRGYRI 0.53
59 FPPKRGYAR 0.55
60 FPPKRGYAF 0.55
61 FPVIRGYRI 0.56
62 FRIIRGYSI 0.57
63 FRIKRGYRI 0.57
64 FPIKRGYAF 0.59
65 FPIKRGYAR 0.59
66 FRVKRGYRI 0.61
67 FRVIRGYSI 0.62
68 FPVKRGYAF 0.63
69 FPVKRGYAR 0.64
70 FPPIRGYSF 0.65
71 FPPKRGYRR 0.65
72 FPPKRGYRF 0.65
73 FPPIRGYSR 0.66
74 FPPKRGYAI 0.68
75 FPIKRGYRF 0.69
76 FPIKRGYRR 0.69
77 FPIIRGYSF 0.69
78 FPIIRGYSR 0.7
79 FRPKRGYSF 0.7
80 FRPKRGYSR 0.71
81 FPIKRGYAI 0.72
82 FPVKRGYRF 0.73
83 FPVKRGYRR 0.74
84 FRIKRGYSF 0.74
85 FPVIRGYSF 0.74
86 FRIKRGYSR 0.75
87 FPVIRGYSR 0.75
88 FPVKRGYAI 0.76
89 FPPIRGYSI 0.78
90 FPPKRGYRI 0.78
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FPPIRGYRF

3.49

-9.56

-6.07
2 FRIIRGYRR

3.53

-6.23

-2.7
3 FPPIRGYRR

3.0

-5.62

-2.62
4 FRPKRGYAF

4.22

-6.59

-2.37
5 FRIIRGYRF

5.23

-7.59

-2.36
6 FRIKRGYAF

4.25

-6.35

-2.1
7 FRPKRGYAR

4.11

-5.99

-1.88
8 FPVIRGYAF

3.34

-4.92

-1.58
9 FPIIRGYAF

3.17

-4.31

-1.14
10 FPPIRGYAF

4.23

-5.33

-1.1
11 FRVIRGYRI

4.12

-5.14

-1.02
12 FRVIRGYAF

3.42

-4.42

-1.0
13 FRPIRGYRF

5.13

-6.08

-0.95
14 FRPIRGYRR

3.36

-4.3

-0.94
15 FRVIRGYRF

4.38

-5.31

-0.93
16 FPPIRGYAR

3.77

-4.65

-0.88
17 FRIKRGYAR

3.47

-3.81

-0.34
18 FRVIRGYRR

3.85

-4.04

-0.19
19 FPIIRGYAR

5.47

-5.65

-0.18
20 FRPIRGYRI

2.78

-2.89

-0.11
21 FRVIRGYAR

4.83

-4.88

-0.05
22 FPVIRGYAR

3.74

-3.63

0.11
23 FRPIRGYAR

4.3

-4.09

0.21
24 FRPIRGYAI

3.3

-3.08

0.22
25 FRPIRGYAF

4.25

-3.59

0.66
26 FRIIRGYAI

3.77

-2.49

1.28
27 FRVIRGYAI

4.81

-3.34

1.47
28 FRIIRGYRI

4.47

-3.0

1.47
29 FRIIRGYAF

5.55

-3.75

1.8
30 FRIIRGYAR

4.42

-2.16

2.26

 NOTE: No more than 10 sequences can be selected for new calculations.

If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence.

NOTE: No more than 10 sequences can be selected for new calculations.

If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence.

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